3GG8

crystal structure of the toxoplasma gondii pyruvate kinase n terminal truncated

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 198
  • Norm. En. per Res.: -3.1868
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-C	-82.9418	-48.8184	-499.222	-630.9822	198	27	18	23384	14	62	54
A-D	-70.9276	20.8743	-166.209	-216.2623	81	12	10	8091	0	9	14
B-C	-77.5721	28.3372	-159.043	-208.2779	79	6	9	7910	0	15	16
B-D	-58.8627	-70.7485	-379.046	-508.6572	190	12	18	18671	10	57	54

Interface residues

• A-C: ALA201C, ALA205C, ALA298A, ALA298C, ALA314A, ALA314C, ALA320A, ALA332A, ALA332C, ALA348A, ALA348C, ALA350A, ALA350C, ALA351A, ALA351C, ALA354A, ALA354C, ALA356A, ALA356C, ALA384A, ALA384C, ALA390A, ALA390C, ALA406A, ARG299A, ARG299C, ARG344A, ARG344C, ARG347A, ARG347C, ARG385A, ARG385C, ARG40C, ARG48A, ARG48C, ASN203A, ASN203C, ASN217A, ASN217C, ASN278A, ASN278C, ASN284A, ASN284C, ASN323A, ASN342A, ASN355A, ASN355C, ASP182C, ASP286A, ASP286C, ASP301A, ASP301C, ASP352A, ASP352C, ASP359A, ASP359C, CYS322A, CYS387A, CYS387C, CYS393A, CYS393C, GLN142A, GLN142C, GLN202A, GLN202C, GLN315A, GLN315C, GLN334A, GLN334C, GLN37C, GLN43A, GLN43C, GLU280A, GLU280C, GLU287A, GLU305A, GLU305C, GLU309A, GLU309C, GLU337C, GLU349A, GLU349C, GLU389A, GLU389C, GLU391A, GLU391C, GLU46A, GLU46C, GLY183A, GLY183C, GLY281A, GLY281C, GLY300A, GLY300C, GLY303A, GLY303C, GLY38C, ILE180C, ILE276A, ILE288A, ILE297A, ILE297C, ILE306A, ILE306C, ILE319A, ILE386A, ILE386C, ILE39C, ILE44A, ILE44C, LEU179C, LEU185C, LEU282A, LEU282C, LEU289A, LEU302A, LEU302C, LEU313A, LEU313C, LEU336A, LEU336C, LEU358A, LEU358C, LEU45A, LEU45C, LYS310A, LYS310C, LYS316A, LYS316C, LYS321A, LYS321C, MET304A, MET304C, MET317A, MET317C, MET318A, MET318C, MET335A, MET335C, MET339C, MET383A, MET383C, MET41A, MET41C, PHE285A, PHE285C, PHE312A, PHE312C, PHE36C, PHE375A, PRO307A, PRO307C, PRO308A, PRO308C, PRO343A, PRO343C, PRO345A, PRO345C, PRO408A, PRO47A, PRO47C, SER184A, SER184C, SER186A, SER186C, SER42A, SER42C, THR177C, THR204C, THR331A, THR331C, THR333A, THR333C, THR346A, THR346C, THR382A, THR382C, THR392A, THR392C, TRP53A, TRP53C, TYR388A, TYR388C, VAL187C, VAL279A, VAL279C, VAL283A, VAL283C, VAL311A, VAL311C, VAL324A, VAL353A, VAL353C, VAL357A, VAL357C, VAL394A, VAL394C, VAL407A
• A-D: ALA416A, ALA416D, ALA418A, ALA418D, ALA420A, ALA420D, ALA421A, ALA421D, ALA425A, ALA425D, ALA510A, ALA510D, ARG419A, ARG419D, ASN429A, ASN429D, ASN523A, ASN523D, ASP486A, ASP486D, CYS404D, CYS427A, CYS427D, GLN414A, GLN414D, GLU415A, GLU415D, GLU423A, GLU423D, GLU426A, GLU426D, GLU531A, GLU531D, GLY513A, GLY513D, HIS512A, HIS512D, ILE411A, ILE411D, ILE489A, ILE508A, ILE508D, LEU524A, LEU524D, LEU525A, LEU525D, LEU528A, LEU528D, LYS526A, LYS526D, MET514A, MET514D, PRO409A, PRO410A, PRO410D, SER412A, SER412D, SER507A, SER507D, SER521A, SER521D, SER522A, SER522D, THR413A, THR413D, THR424A, THR424D, THR485A, THR529A, THR529D, TYR400A, VAL417A, VAL417D, VAL428A, VAL428D, VAL509A, VAL509D, VAL511A, VAL511D, VAL527A, VAL527D
• B-C: ALA416B, ALA416C, ALA418B, ALA418C, ALA420B, ALA420C, ALA421B, ALA421C, ALA425B, ALA425C, ALA430C, ALA510B, ALA510C, ARG419B, ARG419C, ARG490C, ASN429B, ASN429C, ASN523B, ASN523C, ASP486B, ASP486C, CYS427B, CYS427C, GLN414B, GLN414C, GLU415B, GLU415C, GLU423B, GLU423C, GLU426B, GLU426C, GLU531B, GLU531C, GLY513B, HIS512B, HIS512C, ILE411B, ILE411C, ILE489B, ILE508B, ILE508C, LEU524B, LEU524C, LEU525B, LEU525C, LEU528B, LEU528C, LYS515C, LYS526B, LYS526C, MET514B, MET514C, SER412B, SER412C, SER507B, SER507C, SER521C, SER522B, SER522C, THR413B, THR413C, THR424B, THR424C, THR485B, THR485C, THR529B, THR529C, TYR400C, VAL417B, VAL417C, VAL428B, VAL428C, VAL509B, VAL509C, VAL511B, VAL511C, VAL527B, VAL527C
• B-D: ALA181B, ALA205B, ALA205D, ALA298B, ALA298D, ALA314B, ALA314D, ALA332B, ALA332D, ALA348B, ALA348D, ALA350B, ALA350D, ALA351B, ALA351D, ALA354B, ALA354D, ALA356B, ALA356D, ALA384B, ALA384D, ALA390B, ALA390D, ARG299B, ARG299D, ARG344B, ARG344D, ARG347B, ARG347D, ARG385B, ARG385D, ARG40D, ARG48B, ARG48D, ASN203B, ASN203D, ASN217D, ASN284B, ASN342B, ASN342D, ASN355B, ASN355D, ASP182B, ASP182D, ASP286B, ASP286D, ASP301D, ASP352B, ASP352D, ASP359B, ASP359D, ASP52D, CYS387B, CYS387D, CYS393B, CYS393D, GLN142D, GLN202D, GLN315B, GLN315D, GLN334B, GLN334D, GLN43B, GLN43D, GLU280B, GLU287B, GLU305D, GLU309B, GLU309D, GLU337B, GLU337D, GLU349B, GLU349D, GLU374B, GLU381B, GLU381D, GLU389B, GLU389D, GLU391B, GLU391D, GLU46B, GLU46D, GLY183B, GLY183D, GLY281B, GLY300D, GLY303D, ILE178D, ILE180B, ILE180D, ILE276B, ILE297B, ILE297D, ILE306B, ILE306D, ILE378B, ILE386B, ILE386D, ILE44B, ILE44D, LEU179D, LEU185B, LEU185D, LEU282B, LEU282D, LEU302D, LEU313B, LEU313D, LEU336B, LEU336D, LEU358B, LEU358D, LEU45B, LEU45D, LYS136B, LYS211B, LYS310B, LYS310D, LYS316B, LYS316D, LYS321B, LYS321D, LYS341B, LYS341D, MET304D, MET317B, MET317D, MET318B, MET318D, MET335B, MET335D, MET339D, MET383B, MET383D, MET41D, PHE285B, PHE285D, PHE312B, PHE312D, PHE375B, PHE375D, PRO216D, PRO307B, PRO307D, PRO308B, PRO308D, PRO343B, PRO343D, PRO345B, PRO345D, PRO47B, PRO47D, SER184B, SER184D, SER186D, SER338D, SER42B, SER42D, SER49D, THR177D, THR204B, THR204D, THR206B, THR206D, THR331B, THR331D, THR333B, THR333D, THR346B, THR346D, THR382B, THR382D, THR392B, THR392D, TRP53B, TRP53D, TYR388B, TYR388D, VAL187D, VAL279B, VAL279D, VAL283B, VAL283D, VAL311B, VAL311D, VAL353B, VAL353D, VAL357B, VAL357D, VAL394B